1M9S

Crystal structure of Internalin B (InlB), a Listeria monocytogenes virulence protein containing SH3-like domains.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	110
Detector technology	CCD
Collection date	2000-11-21
Detector	SBC-2
Wavelength(s)	1.8455, 1.8461, 1.722
Spacegroup name	C 2 2 21
Unit cell lengths	48.500, 330.900, 182.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.650
R-factor	0.274
Rwork	0.273
R-free	0.30200
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	24.743 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.081	0.561
Number of reflections	37423
<I/σ(I)>	14.4	1.53
Completeness [%]	86.3	59
Redundancy	4.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	lithium sulfate, glycerol, dithiothreitol, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	lithium sulfate, glycerol, dithiothreitol, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	lithium sulfate, glycerol, dithiothreitol, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		1.9 (M)
2	1	reservoir	glycerol	10 (%)
3	1	reservoir	dithiothreitol	1 (mM)
4	1	reservoir	MES	100 (mM)	pH6.5